Procedimiento de preparación de derivados de tipo arilo-heteroarilo y arilo-arilo y compuestos obtenidos

El objeto de la presente invención es un procedimiento de preparación de derivados de tipo arilo — heteroarilo y arilo - arilo a partir de anilinas o sales de diazonio y de compuestos aromáticos, que pueden ser arilos o heteroarilo, en el cual se utilizan materiales que aportan ácido ascórbico o sus derivados como catalizadores. Constituyen igualmente un objeto de la presente invención los compuestos obtenidos mediante el referido procedimiento.Peer reviewedConsejo Superior de Investigaciones CientíficasA1 Solicitud de adición a la patent

Simulador de negocios Capsim: estrategia de la empresa Erie en la industria de sensores

El objetivo del presente trabajo es documentar las decisiones, estrategias, formas de organización y resultados de nuestro equipo de trabajo en la empresa Erie en el ambiente de simulador de negocios Capsim. El simulador se sitúa en el mercado de la industria de sensores, en el cual se tomarán ocho decisiones que comprenden los años 2016-2023

Molecular Simplification in Bioactive Molecules: Formal Synthesis of (+)-Muconin

7 páginas, 1 figura, 7 esquemas, 1 tabla.-- El PDF es la versión post-print.The concept of molecular simplification as a drug design strategy to shorten synthetic routes, while keeping or enhancing the biological activity of the lead drug, has been applied to (+)-muconin, an acetogenin with remarkable cytotoxicity. A novel approach that enables the stereoselective synthesis of such a natural compound or its enantiomer from a common precursor is described. An additional advantage of the method is complete stereochemical control and the decrease in the number of chemical steps required, thus providing an enhancement of the overall yield. Antiproliferative studies against the human solid tumor cell lines showed that the aliphatic chain-THF/THP fragment of (+)-muconin has modest cytotoxic activity. The strategy opens the way to preparing novel bioactive acetogenin analogues by shorter synthetic routes.The authors thank the MYCT (PPQ2002- 04361-C04-02) of Spain and the Canary Islands Government for supporting this research. F.R.P.C. thanks CajaCanarias for a FPI fellowship. R.C. thanks the Spanish MEC for a FPU fellowship. J.M.P. thanks ICIC for a postdoctoral fellowship.Peer reviewe

Electrochemical Detection of Fluoroquinolone Antibiotics in Milk Using a Magneto Immunosensor

An amperometric magneto-immunosensor (AMIS) for the detection of residues of fluoroquinolone antibiotics in milk samples is described for the first time. The immunosensor presented combines magnetic beads biomodified with an antibody with a broad recognition profile of fluoroquinolones, a haptenized enzyme and a magnetic graphite-epoxy composite (m-GEC) electrode. After the immunochemical reaction with specific enzyme tracer, the antibody biomodified magnetic beads are easily captured by an electrode made of graphite-epoxy composite containing a magnet, which also acts as transducer for the electrochemical detection. In spite of the complexity of milk, the use of magnetic beads allows elimination of potential interferences caused by the matrix components; hence the AMIS could perform quantitative measurements, directly in these samples, without any additional sample cleanup or extraction step. The immunosensor is able to detect up to seven different fluoroquinolones far below the MRLs defined by the UE for milk; for example ciprofloxacin is detected directly in milk with an IC50 of 0.74 μg/L and a LOD of 0.009 μg/L. This strategy offers great promise for rapid, simple, cost-effective, and on-site analysis fluoroquinolones in complex samples

Time-resolved Rotational Spectroscopy Of Carboxylic Acids. Identification And Quantification Of The Components From Heating Adipic Acid.

Adipic acid (C$_{6}$H$_{10}$O$_{4}$), a linear dicarboxylic acid, is of great importance in industry as a precursor for the production of nylon and as food additive (E355) to regulate the acidity of the product. Adipic acid is a stable compound at standard conditions; under heating it decarboxylates giving cyclopentanone as the main product and adipic anhydride as a by-product. This behavior is contrary to other aliphatic dicarboxylics acids, which tend to produce the anhydride analogue rather than the ketone.\footnote{J. W. Hill, \textit{J. Am. Chem. Soc.} \textbf{1930}, 52, 4110–4114.} We investigated the self-reaction of adipic acid under heating employing high-resolution rotational spectroscopy, which allows identifying each component in the gas phase, together with structure elucidation and quantification of molecules. The microwave spectrum was measured using a segmented chirped-pulse Fourier transform microwave (FTMW) spectrometer working in the 18-26 frequency range. The most intense lines were assigned to cyclopentanone, but we were able to identify also two conformations of the adipic anhydride, one conformation of adipic acid, and even a complex between cyclopentanone and one water molecule. We have analyzed the spectrum in time segments of one hour each to investigate the reaction pathways of adipic acid and the temporal evolution of the components of the spectrum

Microsolvation of biomolecular models by microwave spectroscopy: structure and cooperative effects

Se han estudiado los complejos microsolvatados de diversas biomoléculas con el grupo amida, responsable del enlace peptídico. Estos complejos, en los que la molécula de interés está rodeada de un número limitado de moléculas de agua, pueden generarse en una expansión supersónica, y estudiarse usando espectroscopía de rotación. El análisis del espectro permite obtener las constantes de rotación de las especies presentes en la expansión supersónica, que están relacionadas con la estructura molecular. Esto permite caracterizar las interacciones que estabilizan los complejos y los efectos cooperativos que afectan al enlace de hidrógeno. Además, se ha demostrado que los parámetros de acoplamiento de cuadrupolo nuclear y de rotación interna sirven como sonda para evidenciar los efectos cooperativos que afectan a la estructura de la molécula microsolvatada y cuya influencia cambia con el grado de hidratación.Departamento de Química Física y Química InorgánicaDoctorado en Químic

PROGRESSIVE POLARIZATION OF PHENANTHRIDINE WITH INCREASING HYDRATION DEGREE EVIDENCED BY QUADRUPOLE AND ITS COMPARISON WITH FORMAMIDE CLUSTERS

The structure of the microsolvated complexes of phenanthridine (PAN) with up to three water molecules has been investigated previously using chirped pulse Fourier transform microwave (CP-FTMW) spectroscopy from 2-8 GHz. In this work, the effect of Resonance Assisted Hydrogen Bonding (RAHB), also called \textit{$\pi$}–cooperativity, on those complexes has been studied. In the resonant forms, the increase of the electronic density around the nitrogen nucleus enhances its hydrogen acceptor capabilities. Thus, the main effects expected due to the resonance of the multiple conjugated \textit{$\pi$}–bonds in the structure of the complexes are a strengthening of the hydrogen bonds and a lengthening of the N-C bonds. However, due to the subtle changes that occur on the molecular structure, the effect on the N-C distances could not be detected experimentally and only a shortening of the hydrogen bonds has been observed. Therefore, the use of the quadrupole coupling interactions as a probe for the polarization has been used to investigate these effects on the almost planar structures of PAN-(H$_{2}$O)$_{n}$ n=1-3. This form of analysis has been shown to be effective in similar studies with formamide.\footnote{S. Blanco, P. Pinacho, J. C. López, \textit{Angew. Chem. Int. Ed.}, 2016, \textbf{128}, 9477-9481.}$^{,}$\footnote{S. Blanco, P. Pinacho, J. C. López, \textit{J. Phys. Chem. Lett.}, 2017, \textbf{8}, 6060-6066.} The experimental quadrupole coupling constant \textit{$\chi$}$_{cc}$ shows a clear trend from isolated PAN to complexes with higher hydration degree, illustrating how the electronic environment at the $^{14}$N nucleus is altered by microsolvation

Safety-centric and Smart Outdoor Workplace: A New Research Direction and Its Technical Challenges

Despite the fact that outside is becoming the frontier of indoor workplaces, a large amount of real-world work like road construction has to be done by outdoor human activities in open areas. Given the promise of the smart workplace in various aspects including productivity and safety, we decided to employ smart workplace technologies for a collaborative outdoor project both to improve the work efficiency and to reduce the worker injuries. Nevertheless, our trials on smart workplace implementation have encountered a few problems ranging from the theoretical confusion among different stakeholders, to the technical difficulties in extending underground devices' lifespan. This triggers our rethinking of and discussions about "smart workplace". Eventually, considering the unique characteristics of outdoor work (e.g., more sophisticated workflows and more safety-related situations than office work), we argue that "safety-centric and smart outdoor workplace" deserves dedicated research attentions and efforts under the umbrella discipline of smart environment. In addition, the identified technical challenges can in turn drive different research dimensions of such a distinguishing topic.Comment: 14 page